Methyl 3-(2-methoxyphenyl)butanoate | 104846-98-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Methyl 3-(2-methoxyphenyl)butanoate
• CAS: 104846-98-2
• 化学式: C₁₂H₁₆O₃
• mdl: MFCD00182627
• 分子量: 208.257
• InChiKey: AMQHSBFLNIRYKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 3-(2-methoxyphenyl)butanoate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 为溶剂， 以4.7 g的产率得到3-(2-甲氧基-苯基)-丁酸
  参考文献：
  名称：

  [EN] ANTI-HCMV COMPOSITIONS AND METHODS
  [FR] COMPOSITIONS ANTI-HCMV ET PROCÉDÉS

  摘要：

  公开号：

  WO2016077240A3
• 作为产物：
  描述：

  2'-甲氧基苯乙酮 在 palladium 10% on activated carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.5h， 生成 Methyl 3-(2-methoxyphenyl)butanoate
  参考文献：
  名称：

  Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells

  摘要：

  In aggressive tumors, alkylglyceronephosphate synthase (AGPS) controls cellular ether phospholipid utilization and metabolism to promote cancer cell proliferation and motility. SAR studies on the first-in-class AGPS inhibitor 1, discovered by our group, led to the 2,6-difluoro analog 2i which showed higher binding affinity than 1 in vitro. In 231MFP cancer cells, 2i reduced ether lipids levels and cell migration rate. When tested in PC-3 and MDA-MB-231 cancer cells, 2i specifically impaired epithelial to mesenchymal transition (EMT) by modulating E-cadherin, Snail and MMP2 expression levels. Moreover, the combination of siRNAs against AGPS and 2i provided no additive effect, confirming that the modulation of 2i on EMT specifically relies on AGPS inhibition. Finally, this compound also affected cancer cell proliferation especially in MDA-MB-231 cells expressing higher AGPS level, whereas it provided negligible effects on MeT5A, a non-tumorigenic cell line, thus showing cancer specificity. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.11.050

文献信息

• Anti-HCMV compositions and methods
  申请人：FORGE Life Science, LLC

  公开号：US10723708B2

  公开（公告）日：2020-07-28

  This document relates to compounds useful as agents for preventing or treating human cytomegalovirus (HCMV) infections.

  本文涉及可作为预防或治疗人类巨细胞病毒（HCMV）感染的药物的化合物。
• Intramolecularly assisted addition of LiMe2 Cu to methyl cinnamates
  作者：Gerd Hallnemo、Christina Ullenius

  DOI：10.1016/s0040-4039(00)84028-9

  日期：1986.1
• HALLNEMO, G.;ULLENIUS, CH., TETRAHEDRON LETT., 1986, 27, N 3, 395-398
  作者：HALLNEMO, G.、ULLENIUS, CH.

  DOI：——

  日期：——
• ANTI-HCMV COMPOSITIONS AND METHODS
  申请人：FORGE Life Science, LLC

  公开号：US20180170884A1

  公开（公告）日：2018-06-21

  This document relates to compounds useful as agents for preventing or treating human cytomegalovirus (HCMV) infections.